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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6600447

Cc1cc(COc2ccc(C(=O)NCC(C(=O)NO)c3ccccn3)cc2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 8/20 0.64
▸ ADAM10 O14672 2/20 0.61
▸ MMP1 P03956 2/20 0.61
▸ MMP3 P08254 1/20 0.57
▸ MMP2 P08253 2/20 0.51
▸ MMP12 P39900 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL6597682 0.87 ADAM17 (0.69) ADAM17ADAM10MMP1MMP3MMP2
Trifluoroacetic Acid SCHEMBL6600731 0.87 ADAM17 (0.69) ADAM17ADAM10MMP1MMP3MMP2
Trifluoroacetic Acid SCHEMBL6699344 0.83 ADAM17 (0.53) ADAM17MMP3
SCHEMBL6597683 0.82 ADAM17 (0.67) ADAM17ADAM10MMP1MMP3MMP2
SCHEMBL6600734 0.82 ADAM17 (0.67) ADAM17ADAM10MMP1MMP3MMP2
SCHEMBL6597351 0.81 ADAM17 (0.76) ADAM17ADAM10MMP1MMP3MMP2
SCHEMBL7401361 0.81 ADAM17 (0.76) ADAM17ADAM10MMP1MMP3MMP2
SCHEMBL6597507 0.81 ADAM17 (0.76) ADAM17ADAM10MMP1MMP3MMP2
SCHEMBL6595831 0.81 ADAM17 (0.76) ADAM17ADAM10MMP1MMP3MMP2
SCHEMBL6597136 0.79 ADAM17 (0.72) ADAM17ADAM10MMP1MMP3MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 — — EP disclosed